N-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide

C11H8ClNO2 — CID 886509

IUPACN-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide
SMILES[O-]/[N+](=C\c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNO2/c12-9-3-5-10(6-4-9)13(14)8-11-2-1-7-15-11/h1-8H/b13-8-
InChIKeyMEOPKNOHIKFEFO-JYRVWZFOSA-N
MW221.64 g/mol
LogP3.19
Rot. Bonds2

About N-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide

N-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide (PubChem CID 886509) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide
PubChem CID886509
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC NameN-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide
SMILES[O-]/[N+](=C\c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNO2/c12-9-3-5-10(6-4-9)13(14)8-11-2-1-7-15-11/h1-8H/b13-8-
InChIKeyMEOPKNOHIKFEFO-JYRVWZFOSA-N
XLogP3.19
TPSA39.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide?
The IUPAC name of N-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide (CID 886509) is N-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide?
The canonical SMILES for N-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide is [O-]/[N+](=C\c1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide?
The InChIKey is MEOPKNOHIKFEFO-JYRVWZFOSA-N. The full InChI is InChI=1S/C11H8ClNO2/c12-9-3-5-10(6-4-9)13(14)8-11-2-1-7-15-11/h1-8H/b13-8-.
What are the key properties of N-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide?
N-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide has a molecular weight of 221.64 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide is sourced from PubChem (CID 886509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).